Basic information
- CAS
731011-85-1- Standard SMILES
Cc1ccc(C(=O)O)cc1NC(=O)CCl- InChIKey
FEQRNTYJUDHNDJ-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3
- Average molar mass
- 227.64 g/mol
- Monoisotopic mass
- 227.0349209
Names & identifiers
- Preferred name
- 3-(2-Chloroacetamido)-4-methylbenzoic acid
- IUPAC
- 3-[(2-chloroacetyl)amino]-4-methylbenzoic acid
Names & synonyms
3-(2-chloroacetamido)-4-methylbenzoic acid731011-85-1RefChem:490852841-721-83-[(chloroacetyl)amino]-4-methylbenzoic acid3-[(2-chloroacetyl)amino]-4-methylbenzoic acid3-[(2-chloroacetyl)amino]-4-methyl-benzoic AcidAKOS000295653NCGC00661638-013-(2-chloroacetamido)-4-methylbenzoicacidCS-0220549EN300-06918
Show more names
G38524Z56949554
Database identifiers
- CAS
731011-85-1- PubChem CID
- 3692963
- EC Number
- 841-721-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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